Unveiling a New Generation of Orthorhombic Zintl Compounds K2XCdY2 (X= Ca, Ba; Y= Sb, Bi) for Advanced Thermoelectric and Optical Applications: A First-Principles Study
Key Points
Enhanced thermoelectric performance is observed in the new compounds K2XCdY2, particularly for X= Ca, Ba and Y= Sb, Bi.
This performance uplift includes improved electrical conductivity and Seebeck coefficient metrics, indicating promising efficiency.
The analysis employs first-principles calculations to assess material properties and potential applications in energy conversion.
These findings highlight the potential for Zintl compounds in advanced thermoelectric and optical technologies, supporting renewable energy solutions.
Unveiling a New Generation of Orthorhombic Zintl Compounds K2XCdY2 (X= Ca, Ba; Y= Sb, Bi) for Advanced Thermoelectric and Optical Applications: A First-Principles Study | Synapse